1-Ethyl-4-Ethynylbenzene

• Catalog Number: ACM40307117
• Product Name: 1-Ethyl-4-Ethynylbenzene
• CAS: 40307-11-7
• Category: Alkynes
• IUPAC Name: 1-ethyl-4-ethynylbenzene
• Molecular Weight: 130.19
• Molecular Formula: C10H10
• Canonical SMILES: CCC1=CC=C(C=C1)C#C
• InChI: InChI=1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3
• InChI Key: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
• Boiling Point: 30 ºC 0.05mmHg
• Density: 0.930 g/ml
• Complexity: 129
• Covalently-Bonded Unit Count: 1
• Exact Mass: 130.07825g/mol
• Formal Charge: 0
• Hazard Statements: H226-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 130.07825g/mol
• RIDADR: UN 3334
• Rotatable Bond Count: 2
• Symbol: GHS02
• XLogP3: 3